UCSF

ZINC66449154

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2011 21 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.64 6.19 -15.25 0 7 0 54 331.467 4
Mid Mid (pH 6-8) 0.64 8.22 -42.97 1 7 1 55 332.475 4
Lo Low (pH 4.5-6) 0.64 6.32 -41.06 1 7 1 55 332.475 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.